2PU5
Crystal Structure of a C-C bond hydrolase, BphD, from Burkholderia xenovorans LB400
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 64 |
| Unit cell lengths | 135.183, 135.183, 66.268 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | ? - 2.300 |
| R-factor | 0.18 |
| Rwork | 0.176 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.022 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 30870 | |
| <I/σ(I)> | 12.2 | 3.4 |
| Completeness [%] | 99.8 | 98.6 |
| Redundancy | 6.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.0 M sodium, malonate, pH 6.0 or 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
